Dihydroperillic acid (trans-)
Showing entry for Dihydroperillic acid (trans-)
Identification
- PhytoHub ID
- PHUB001000
- Name
- Dihydroperillic acid (trans-)
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 168.236
- Monoisotopic Mass
- 168.115029755
- Chemical Formula
- C10H16O2
- IUPAC Name
- (1s,4s)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid
- InChI Key
- XZOBEDLKVOHSSH-DTORHVGOSA-N
- InChI Identifier
InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9+
- SMILES
CC(=C)[C@H]1CC[C@H](CC1)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.60e+00 g/l
- LogS (ALOGPS)
- -2.02
- LogP (ALOGPS)
- 2.56
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 37.3
- Refractivity
- 47.321600000000004
- Polarizability
- 18.900913428035118
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 4.939568069425187
External Links
No external links
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
| Precursor | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Limonene | Apple | Fruit, Pomes | Publications | Show | |
| Limonene | Dill | Herbs and Spices | Show | ||
| Limonene | Grape | Fruit, Berries | Publications | Show | |
| Limonene | Grape wine | Beverages, Alcoholic | Publications | Show | |
| Limonene | Lemon | Fruit, Citrus | Publications | Show | |
| Limonene | Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Limonene | Nutmeg | Herbs and Spices | Show | ||
| Limonene | Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Limonene | Pepper | Herbs and Spices | Show | ||
| Limonene | Sweet orange | Fruit, Citrus | Publications | Show |
Metabolism
| Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|
| Limonene | Dihydroperillic acid (trans-) | human rat | plasma, urine | C10H16O2 | 168.115029755 | Publications |
Dihydroperillic acid (trans-)